BDBM50258626 (S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)heptanamide::CHEMBL466215

SMILES: COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1

InChI Key: InChIKey=QZLKZEZKQRUHEU-NDEPHWFRSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50258626   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50258626 ((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin)				Bioorg Med Chem Lett 19: 3081-4 (2009) Article DOI: 10.1016/j.bmcl.2009.04.011 BindingDB Entry DOI: 10.7270/Q2P84BSJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50258626 ((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG tagged HDAC2 (unknown origin)				Bioorg Med Chem Lett 19: 3081-4 (2009) Article DOI: 10.1016/j.bmcl.2009.04.011 BindingDB Entry DOI: 10.7270/Q2P84BSJ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50258626 ((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of His-tagged HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli				Bioorg Med Chem Lett 19: 3081-4 (2009) Article DOI: 10.1016/j.bmcl.2009.04.011 BindingDB Entry DOI: 10.7270/Q2P84BSJ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50258626 ((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of His-tagged HDAC4 catalytic domain (unknown origin) expressed in Escherichia coli				Bioorg Med Chem Lett 19: 3081-4 (2009) Article DOI: 10.1016/j.bmcl.2009.04.011 BindingDB Entry DOI: 10.7270/Q2P84BSJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50258626 ((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG tagged HDAC6 (unknown origin)				Bioorg Med Chem Lett 19: 3081-4 (2009) Article DOI: 10.1016/j.bmcl.2009.04.011 BindingDB Entry DOI: 10.7270/Q2P84BSJ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50258626 ((S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3nc(c[nH]3)-c3ccc4ccccc4c3)c2c1 |r| Show InChI InChI=1S/C32H35N5O3/c1-20-25(26-17-24(40-2)14-15-27(26)35-20)18-31(39)36-28(10-4-3-5-11-30(33)38)32-34-19-29(37-32)23-13-12-21-8-6-7-9-22(21)16-23/h6-9,12-17,19,28,35H,3-5,10-11,18H2,1-2H3,(H2,33,38)(H,34,37)(H,36,39)/t28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG tagged HDAC3 (unknown origin)				Bioorg Med Chem Lett 19: 3081-4 (2009) Article DOI: 10.1016/j.bmcl.2009.04.011 BindingDB Entry DOI: 10.7270/Q2P84BSJ
					More data for this Ligand-Target Pair